1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol

C20H22N4O — CID 10149903

IUPAC1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3
InChIKeyKRUUHVKMARMIGU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.93
Rot. Bonds3

About 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol

1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol (PubChem CID 10149903) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
PubChem CID10149903
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3
InChIKeyKRUUHVKMARMIGU-UHFFFAOYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine
CID 9818573
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimidin-5-yl)quinoline
CID 11723422
2-Propanol, 1-(diethylamino)-3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-, trimaleate
CID 158473
1,2-Propanediol, 3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-
CID 3068865
6-(4-morpholinobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444218
(R)-2-(2-methoxypyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890430
1-Carbazol-9-yl-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-2-ol
CID 655222
2-[(2-Pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 1563686
N*1*-[7-(4-Morpholin-4-yl-phenyl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 9820420
3-[6-(4-Hydroxy-piperidin-1-yl)-[1,7]naphthyridin-8-yl]-benzonitrile
CID 9973904
7-[4-(Dimethylamino)phenyl]-n,n-dimethyl-1,6-naphthyridin-5-amine
CID 10125483
N-[7-(4-Dimethylamino-phenyl)-[1,6]naphthyridin-5-yl]-N,N''-dimethyl-propane-1,3-diamine
CID 10126020

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol (CID 10149903) is 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol is CN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1.
What is the InChIKey of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The InChIKey is KRUUHVKMARMIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3.
What are the key properties of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol has a molecular weight of 334.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 10149903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).